1-[(4R)-4-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone

C15H22N4O2S — CID 95353354

About 1-[(4R)-4-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone

1-[(4R)-4-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone (PubChem CID 95353354) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-[(4R)-4-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(4R)-4-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
• PubChem CID: 95353354
• Molecular Formula: C15H22N4O2S
• Molecular Weight: 322.43 g/mol
• Exact Mass: 322.15
• IUPAC Name: 1-[(4R)-4-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
• SMILES: CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H]1Cn1cc(C)cn1
• InChI: InChI=1S/C15H22N4O2S/c1-11-6-16-17(7-11)8-13-4-3-5-18(13)15(21)14-9-22-10-19(14)12(2)20/h6-7,13-14H,3-5,8-10H2,1-2H3/t13-,14-/m0/s1
• InChIKey: XMZGLNKRKVHYTF-KBPBESRZSA-N
• XLogP: 1.10
• TPSA: 58.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.43
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone?

The IUPAC name of 1-[(4R)-4-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone (CID 95353354) is 1-[(4R)-4-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone.

What is the SMILES notation for 1-[(4R)-4-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone?

The canonical SMILES for 1-[(4R)-4-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone is CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H]1Cn1cc(C)cn1.

What is the InChIKey of 1-[(4R)-4-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone?

The InChIKey is XMZGLNKRKVHYTF-KBPBESRZSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-11-6-16-17(7-11)8-13-4-3-5-18(13)15(21)14-9-22-10-19(14)12(2)20/h6-7,13-14H,3-5,8-10H2,1-2H3/t13-,14-/m0/s1.

What are the key properties of 1-[(4R)-4-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone?

1-[(4R)-4-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 322.43 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4R)-4-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 95353354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).